SCHEMBL3574145

SCHEMBL3574145

CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
STAT3 P40763 2/20 0.39
CNR1 P21554 1/20 0.39
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
EPHX2 P34913 1/20 0.36
DHODH Q02127 1/20 0.35
P2RX1 P51575 1/20 0.35
SLC6A9 P48067 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ATM Q13315 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3575607 0.97 CNR1 (0.40) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3583070 0.92 SCN9A (0.40) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3576382 0.92 STAT3 (0.38) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3583320 0.89 CNR1 (0.41) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3576631 0.89 CNR1 (0.38) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3583457 0.89 LMNA (0.39) STAT3CNR1ATM
SCHEMBL3574302 0.88 CNR1 (0.42) SCN9ASTAT3CNR1LPAR1LPAR5
SCHEMBL3584132 0.87 LMNA (0.39) STAT3CNR1ATM
SCHEMBL3583813 0.87 CNR1 (0.41) CNR1LPAR1LPAR5EPHX2P2RX1
SCHEMBL3584158 0.86 SCN9A (0.38) SCN9ASTAT3CNR1LPAR1LPAR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed